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@ -85,7 +85,7 @@ it gives quick access to documentation for all LAMMPS commands.
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.. toctree::
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:maxdepth: 2
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:numbered:
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:numbered: // comment
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Section_intro
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Section_start
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Indices and tables
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==================
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* :ref:`genindex`
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* :ref:`search`
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* :ref:`genindex` // comment
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* :ref:`search` // comment
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END_RST -->
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@ -89,6 +89,7 @@ lcbop LCBOP long-range bond-order potential
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meam modified EAM (MEAM) library and individual elements/alloys
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meam.spline modified EAM (MEAM) spline potential
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meam.sw.spline modified EAM (MEAM) Stillinger-Weber spline potential
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mgpt Moriarty generalized pseudopotential theory (GPT) potential
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nb3b.harmonic nonbonded 3-body harmonic potential
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poly polymorphic 3-body potential
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reax ReaxFF potential (see README.reax for more info)
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#
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# DATE: 2015-10-22 CONTRIBUTOR: Nicolas Salles, nsalles@laas.fr CITATION: N. Salles, O. Politano, E. Amzallag and R. Tetot, Comput. Mater. Sci. 111 (2016) 181-189
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# SMTBQ parameter for Al-Al interaction.
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# Edited by N. Salles Univ. Bourgogne and E. Maras from Aalto Univ.
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# year: 2014
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This package implements the Second Moment Tight Binding - QEq (SMTB-Q)
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potential for the description of the ionocovalent bond in oxides.
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potential for the description of ionocovalent bonds in oxides.
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Authors: Nicolas Salles, Emile Maras, Olivier Politano, Robert Tetot
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at LAAS-CNRS in France.
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Contact emails: lammps@u-bourgogne.fr, nsalles@laas.fr
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